SCHEMBL11248860

SCHEMBL11248860

CCOc1cc(N(CC)CC)ccc1C1(N(c2ccccc2)c2ccccc2)OC(=O)c2ncccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.33
NPY5R Q15761 7/20 0.33
CYP3A4 P08684 1/20 0.32
RAB9A P51151 4/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 3/20 0.32
KDM4E B2RXH2 1/20 0.32
STAT3 P40763 1/20 0.32
STAT1 P42224 1/20 0.32
HIF1A Q16665 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11240578 0.86 CYP3A4 (0.36) KMT2ANPY5RCYP3A4RAB9AMEN1
SCHEMBL213721 0.83 CYP3A4 (0.40) KMT2ANPY5RCYP3A4RAB9AMEN1
SCHEMBL29735596 0.83 CYP3A4 (0.40) KMT2ANPY5RCYP3A4RAB9AMEN1
SCHEMBL11228890 0.82 KMT2A (0.36) KMT2ANPY5RRAB9AMEN1MAPT
SCHEMBL11235691 0.81 CNR2 (0.36) KMT2ANPY5RMAPTSMN1; SMN2LMNA
SCHEMBL11240811 0.80 MAPT (0.35) KMT2ACYP3A4RAB9AMEN1MAPT
SCHEMBL9185575 0.80 CYP3A4 (0.35) KMT2ANPY5RCYP3A4RAB9AMEN1
SCHEMBL11241233 0.80 HTT (0.35) KMT2ANPY5RCYP3A4RAB9AMEN1
SCHEMBL11369724 0.80 CYP3A4 (0.42) KMT2ACYP3A4RAB9AMEN1MAPT
SCHEMBL9185712 0.80 CYP3A4 (0.38) KMT2ANPY5RCYP3A4RAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337340-A FROM DIPHENYLAMINES AND BENZOYL OR 3-INDOLYLCARBONYL PYRIDINE- OR PYRAZINECARBOXYLIC ACIDS STERLING DRUG INC. (US) 1982-06-29 US disclosed
US-4243250-A FUROPYRIDINONES OR FUROPYRAZINONES AS COLOR FORMERS STERLING DRUG INC. (US) 1981-01-06 US disclosed
US-4211872-A COLOR FORMERS FREEDOM CHEMICAL COMPANY 1980-07-08 US disclosed